N-[2,4-bis(fluoranyl)phenyl]-1-(4-ethylpiperazin-1-yl)isoquinoline-4-carboxamide

Systemtic Name: N-[2,4-bis(fluoranyl)phenyl]-1-(4-ethylpiperazin-1-yl)isoquinoline-4-carboxamide Openeye Name: N-(2,4-difluorophenyl)-1-(4-ethylpiperazin-1-yl)isoquinoline-4-carboxamide CAS Name: N-(2,4-difluorophenyl)-1-(4-ethyl-1-piperazinyl)-4-isoquinolinecarboxamide IUPAC Name: N-(2,4-difluorophenyl)-1-(4-ethylpiperazin-1-yl)isoquinoline-4-carboxamide Traditional Name: N-(2,4-difluorophenyl)-1-(4-ethylpiperazino)isoquinoline-4-carboxamide Formula: C22H22F2N4O MolecularWeight: 396.433086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC=C(C3=CC=CC=C32)C(=O)NC4=C(C=C(C=C4)F)F

Isomeric SMILES

CCN1CCN(CC1)C2=NC=C(C3=CC=CC=C32)C(=O)NC4=C(C=C(C=C4)F)F

InChI

InChI=1S/C22H22F2N4O/c1-2-27-9-11-28(12-10-27)21-17-6-4-3-5-16(17)18(14-25-21)22(29)26-20-8-7-15(23)13-19(20)24/h3-8,13-14H,2,9-12H2,1H3,(H,26,29)